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CHEBI:192789 - (2R,3S)-piscidate

ChEBI IDCHEBI:192789
ChEBI Name(2R,3S)-piscidate
Stars
ASCII Name(2R,3S)-piscidate
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H10O7
Net Charge-2
Average Mass254.194
Monoisotopic Mass254.04375
SMILESO=C([O-])[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)[O-]
InChIInChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/p-2/t8-,11-/m1/s1
InChIKeyTUODPMGCCJSJRH-LDYMZIIASA-L
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-piscidate (CHEBI:192789) has functional parent 3-phenylpropionate (CHEBI:51057)
(2R,3S)-piscidate (CHEBI:192789) is a benzenes (CHEBI:22712)
(2R,3S)-piscidate (CHEBI:192789) is a carboxylic acid anion (CHEBI:29067)
Incoming Relation(s)
cimicifugate D (CHEBI:192791) has functional parent (2R,3S)-piscidate (CHEBI:192789)
cimicifugate E (CHEBI:192793) has functional parent (2R,3S)-piscidate (CHEBI:192789)
cimicifugate J (CHEBI:192792) has functional parent (2R,3S)-piscidate (CHEBI:192789)
UniProt Name  Source
(2R,3S)-piscidateUniProt
Citations